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3,5-Bis(benzyloxy)pyridine-2-carbonitrile | C20H16N2O2 - Chemryt

Chemical : 3,5-Bis(benzyloxy)pyridine-2-carbonitrile

Casrn : 1000025-92-2

MolName : 3,5-Bis(benzyloxy)pyridine-2-carbonitrile

MolecularFormula : C20H16N2O2

Smiles : N#Cc(ncc(OCc1ccccc1)c1)c1OCc1ccccc1

InChI : InChI=1S/C20H16N2O2/c21-12-19-20(24-15-17-9-5-2-6-10-17)11-18(13-22-19)23-14-16-7-3-1-4-8-16/h1-11,13H,14-15H2

InChIK : QBEIDMMMZMELLF-UHFFFAOYSA-N

CanonicalSyTyLFy : 48fef5504d722829

TotalMolweight : 316.359

Molweight : 316.359

MonoisotopicMass : 316.121178

CLogP : 3.2445

CLogS : -4.3

H Acceptors : 4

TotalSurfaceArea : 260.77

Relative PSA : 0.17076

PolarSurfaceArea : 55.14

Druglikeness : -6.3825

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.625

Molecula Flexibility : 0.39362

Molecular Complexity : 0.69754

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 4

Symmetricatoms : 4

Aromatic Nitrogens : 1

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100007-67-8highnonelowC5H7OClF2156.559-12.702
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000269-68-0nonenonenoneC14H24N4248.3730.99367
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-10-7nonehighhighC9H11NO149.192-1.8715
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-71-0nonenonenoneC7H9N107.155-2.2725
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000-00-6nonenonehighC10H26OSi2218.487-62.76
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-51-6highhighhighC7H8O108.14-2.2456
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100-63-0highhighnoneC6H8N2108.144-4.3224
100-09-4nonenonenoneC8H8O3152.149-1.597
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100033-59-8nonenonenoneC8H16N2140.2290.9406
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
10000-51-8nonenonenoneC14H15NO3245.2770.10503
017257-81-7nonenonenoneC6H10O2114.1430.9106
100009-23-2nonenonehighC17H22226.362-9.7346
100-65-2highnonenoneC6H7NO109.128-1.548
100-53-8nonehighhighC7H8S124.207-6.3177
100-46-9nonenonenoneC7H9N107.155-2.0712
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-07-2highhighlowC8H7O2Cl170.595-10.49
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100020-95-9highnonelowC12H17OCl212.719-11.962
100-39-0highhighnoneC7H7Br171.037-7.8241
100-50-5nonenonehighC7H10O110.155-9.6048
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-22-1highhighnoneC10H16N2164.2510.40939
1000339-33-2nonenonenoneC10H11NClF199.6550.76
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100005-12-7nonenonelowC11H10NCl191.662.2675
100-02-7nonenonenoneC6H5NO3139.11-7.5665